4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine

C20H22Cl2N4O — CID 121309910

IUPAC4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
SMILESCC(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3Cl)nc2cn1
InChIInChI=1S/C20H22Cl2N4O/c1-13(2)17-11-26-18(12-25-5-7-27-8-6-25)20(24-19(26)10-23-17)15-4-3-14(21)9-16(15)22/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyHHEMFPQLYWMVOE-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.66
Rot. Bonds4

About 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine

4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine (PubChem CID 121309910) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
PubChem CID121309910
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
SMILESCC(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3Cl)nc2cn1
InChIInChI=1S/C20H22Cl2N4O/c1-13(2)17-11-26-18(12-25-5-7-27-8-6-25)20(24-19(26)10-23-17)15-4-3-14(21)9-16(15)22/h3-4,9-11,13H,5-8,12H2,1-2H3
InChIKeyHHEMFPQLYWMVOE-UHFFFAOYSA-N
XLogP4.66
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine (CID 121309910) is 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine is CC(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3Cl)nc2cn1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The InChIKey is HHEMFPQLYWMVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c1-13(2)17-11-26-18(12-25-5-7-27-8-6-25)20(24-19(26)10-23-17)15-4-3-14(21)9-16(15)22/h3-4,9-11,13H,5-8,12H2,1-2H3.
What are the key properties of 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine has a molecular weight of 405.33 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).